Research output: Contribution to journal › Article › peer-review
Katherine J. Haxton, David J. Cole-Hamilton, Russell E. Morris
A method of calculating the bite (P-M-P) angle for dendritic ligands is reported. Diphenylphosphine terminated dendritic ligands were modified with either a single rhodium or a rhodium complex [HRh(CO)(2)] and molecular dynamics techniques used to run simulations to determine the dynamic bite angle (beta(d)) as a time averaged property. The effects of changing the composition of the dendritic branches is investigated and comparison with experimental hydroformylation data reveals that the dendrimer with the highest linear: branched ratio also has a dynamic bite angle closest to the theoretical ideal value of 120 degrees.
Original language | English |
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Pages (from-to) | 3415-3420 |
Number of pages | 6 |
Journal | Dalton Transactions |
Issue number | 31 |
DOIs | |
Publication status | Published - 2007 |
Additional links |
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Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Abstract › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Finlay Morrison (Reviewer)
Activity: Publication peer-review and editorial work types › Peer review of manuscripts
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
ID: 650458